N-[(2-bromo-5-methoxyphenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine

C15H22BrNO2 — CID 65326023

IUPACN-[(2-bromo-5-methoxyphenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine
SMILESCOc1ccc(Br)c(CN(C)CC2CCOCC2)c1
InChIInChI=1S/C15H22BrNO2/c1-17(10-12-5-7-19-8-6-12)11-13-9-14(18-2)3-4-15(13)16/h3-4,9,12H,5-8,10-11H2,1-2H3
InChIKeyLHAFHOPIXPDDJF-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.32
Rot. Bonds5

About N-[(2-bromo-5-methoxyphenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine

N-[(2-bromo-5-methoxyphenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine (PubChem CID 65326023) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is N-[(2-bromo-5-methoxyphenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound NameN-[(2-bromo-5-methoxyphenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine
PubChem CID65326023
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC NameN-[(2-bromo-5-methoxyphenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine
SMILESCOc1ccc(Br)c(CN(C)CC2CCOCC2)c1
InChIInChI=1S/C15H22BrNO2/c1-17(10-12-5-7-19-8-6-12)11-13-9-14(18-2)3-4-15(13)16/h3-4,9,12H,5-8,10-11H2,1-2H3
InChIKeyLHAFHOPIXPDDJF-UHFFFAOYSA-N
XLogP3.32
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline
CID 115414154
2-[[cyclopropylmethyl(methyl)amino]methyl]-5-methoxyaniline
CID 115413829
[2-[[cyclohexylmethyl(methyl)amino]methyl]-4-methoxyphenyl]boronic acid
CID 65327680
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 63726480
1-(2-bromo-5-methoxyphenyl)-3-(oxolan-3-yl)propan-2-ol
CID 103986427
N-[(2-bromo-5-methoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 65326987
4-methoxy-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 113305279
4-[(2-bromo-4-methoxyphenoxy)methyl]oxane
CID 104704638
N-[(2-bromo-5-methoxyphenyl)methyl]-N-methylazetidin-3-amine;hydrochloride
CID 120851632
N-[(2-bromo-5-methoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79705582
N-[(3-bromophenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 63711588
4-chloro-2-methoxy-6-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol
CID 104645244

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-methoxyphenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine?
The IUPAC name of N-[(2-bromo-5-methoxyphenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine (CID 65326023) is N-[(2-bromo-5-methoxyphenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine.
What is the SMILES notation for N-[(2-bromo-5-methoxyphenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine?
The canonical SMILES for N-[(2-bromo-5-methoxyphenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine is COc1ccc(Br)c(CN(C)CC2CCOCC2)c1.
What is the InChIKey of N-[(2-bromo-5-methoxyphenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine?
The InChIKey is LHAFHOPIXPDDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-17(10-12-5-7-19-8-6-12)11-13-9-14(18-2)3-4-15(13)16/h3-4,9,12H,5-8,10-11H2,1-2H3.
What are the key properties of N-[(2-bromo-5-methoxyphenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine?
N-[(2-bromo-5-methoxyphenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine has a molecular weight of 328.25 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-methoxyphenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 65326023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).